Details of the Drug

General Information of Drug (ID: DMT0DW4)

Drug Name

Rotigitine

Synonyms

Rotigotine hydrochloride; 125572-93-2; Rotigotine HCl; Rotigotine (Hydrochloride); UNII-6Q1W9573L2; (S)-6-(Propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride; 6Q1W9573L2; (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride; [14C]-Rotigotine; N-0923 hydrochloride; N 0924 hydrochloride; Rotigotine(Hydrochloride); Neupro Hydrochloride Salt; C19H26ClNOS; AC1L46ZH; (S)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol hydrochlor

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

351.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C19H26ClNOS
IUPAC Name: (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
Canonical SMILES: CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O.Cl
InChI: InChI=1S/C19H25NOS.ClH/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;/h3-7,13,16,21H,2,8-12,14H2,1H3;1H/t16-;/m0./s1
InChIKey: CEXBONHIOKGWNU-NTISSMGPSA-N